(2-phenylethyl)benzene

• ChemBase ID: 78364
• Molecular Formular: C14H14
• Molecular Mass: 182.26096
• Monoisotopic Mass: 182.10955045
• SMILES: C(c1ccccc1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CCc1ccccc1
• InChI: InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2
• InChIKey: QWUWMCYKGHVNAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylethyl)benzene
• IUPAC Traditional name: dibenzyl
• Synonyms: Bibenzyl; Dibenzil; Dibenzyl; Dihydrostilbene; 1,2-Diphenylethane; sym-Diphenylethane; Bibenzyl; 1,2-Diphenylethane 98%; Bibenzyl; 1,2-Diphenylethane; Diphyl; Biphenyl Diphenyl ether eutectic; Dowtherm® A; 1,2-Diphenylethane; 1,2-二苯乙烷; 联甲苯; 联苄; 1,2-二苯乙烷; Dowtherm® A

Database IDs

• CAS Number: 8004-13-5; 103-29-7
• EC Number: 000-000-0; 203-096-4
• MDL Number: MFCD00004796; MFCD00148859
• Beilstein Number: 508068
• Merck Index: 141198
• PubChem SID: 162043133; 24891710; 24848578
• PubChem CID: 7647
• CHEBI ID: 34047
• CHEMBL: 440895
• Chemspider ID: 7364
• Wikipedia Title: Bibenzyl

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5096087
• LogD (pH = 7.4): 4.5096087
• Log P: 4.5096087
• Molar Refractivity: 60.3962 cm^3
• Polarizability: 23.57575 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water; Soluble in ether, chloroform
• Apperance: Crystalline solid
• Melting Point: 12-14°C; 50-53 °C; 50-53 °C(lit.); 50-53°C; 50-53°C; 52.0 - °C
• Boiling Point: 257°C; 284 °C(lit.); 284°C; 284°C; 284-285°C
• Flash Point: >110°C; >110°C(230°F); 110 °C; 113°C(235°F); 230 °F
• Auto Ignition Point: 896 °F
• Density: 0.9782 g/cm^3; 1.013; 1.014; 1.014 g/mL at 25 °C(lit.); 1.056

Safety Information

• Storage Warning: Irritant
• RTECS: DT4375000; DV1500000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: UN3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 36/37/38-50/53
• Safety Statements: 26-37-57
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Hazard statements: H303; H400-H410-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P312
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (GC); 98%; 98+%; 99%
• Grade: purum; ReagentPlus®
• Linear Formula: C6H5CH2CH2C6H5

DETAILS

Sigma Aldrich - B33706

Packaging
25, 100 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC